3R0X

Crystal structure of Selenomethionine incorporated apo D-serine deaminase from Salmonella tyhimurium

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97848, 0.97872, 1.01876, 0.97083
Spacegroup name	P 21 21 2
Unit cell lengths	56.460, 188.390, 46.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.170 - 1.930
R-factor	0.18212
Rwork	0.181
R-free	0.20986
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.915
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	2.000
High resolution limit [Å]	1.930	1.900
Rmerge	0.053	0.174
Number of reflections	36067
<I/σ(I)>	28.2	12
Completeness [%]	93.7	82.5
Redundancy	9.1	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	298	0.1M Trisodium citrate pH 6.1, 0.4M Ammonium sulphatem, 0.8M Lithium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.1	298	0.1M Trisodium citrate pH 6.1, 0.4M Ammonium sulphatem, 0.8M Lithium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K